VTK  9.0.1
vtkBond.h
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1 /*=========================================================================
2 
3  Program: Visualization Toolkit
4  Module: vtkBond.h
5 
6  Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
7  All rights reserved.
8  See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
9 
10  This software is distributed WITHOUT ANY WARRANTY; without even
11  the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
12  PURPOSE. See the above copyright notice for more information.
13 
14 =========================================================================*/
21 #ifndef vtkBond_h
22 #define vtkBond_h
23 
24 #include "vtkAtom.h" // For vtkAtom
25 #include "vtkCommonDataModelModule.h" // For export macro
26 #include "vtkObject.h" // For macros, etc
27 
28 class vtkMolecule;
29 
30 class VTKCOMMONDATAMODEL_EXPORT vtkBond
31 {
32 public:
33  void PrintSelf(ostream& os, vtkIndent indent);
34 
38  vtkIdType GetId() const;
39 
43  vtkMolecule* GetMolecule();
44 
46 
52 
54 
63 
67  unsigned short GetOrder();
68 
75  double GetLength() const;
76 
77 protected:
78  friend class vtkMolecule;
79 
80  vtkBond(vtkMolecule* parent, vtkIdType id, vtkIdType beginAtomId, vtkIdType endAtomId);
81 
86 };
87 
88 inline vtkIdType vtkBond::GetId() const
89 {
90  return this->Id;
91 }
92 
94 {
95  return this->Molecule;
96 }
97 
98 #endif
99 // VTK-HeaderTest-Exclude: vtkBond.h
convenience proxy for vtkMolecule
Definition: vtkAtom.h:32
convenience proxy for vtkMolecule
Definition: vtkBond.h:31
vtkIdType EndAtomId
Definition: vtkBond.h:85
vtkIdType GetEndAtomId() const
vtkAtom GetEndAtom() const
vtkMolecule * Molecule
Definition: vtkBond.h:82
unsigned short GetOrder()
Get the bond order for this bond.
vtkIdType GetId() const
Return the Id used to identify this bond in the parent molecule.
Definition: vtkBond.h:88
vtkAtom GetBeginAtom() const
vtkMolecule * GetMolecule()
Return the parent molecule of this bond.
Definition: vtkBond.h:93
vtkIdType GetBeginAtomId() const
Get the starting / ending atom ids for this bond.
void PrintSelf(ostream &os, vtkIndent indent)
vtkAtom GetEndAtom()
vtkIdType BeginAtomId
Definition: vtkBond.h:84
vtkIdType Id
Definition: vtkBond.h:83
vtkAtom GetBeginAtom()
Get a vtkAtom object that refers to the starting / ending atom for this bond.
vtkBond(vtkMolecule *parent, vtkIdType id, vtkIdType beginAtomId, vtkIdType endAtomId)
double GetLength() const
Get the distance between the bonded atoms.
a simple class to control print indentation
Definition: vtkIndent.h:34
class describing a molecule
Definition: vtkMolecule.h:92
int vtkIdType
Definition: vtkType.h:338